1346809-50-4
2-(DIMETHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-(DIMETHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
1Identification
【Name】
2-(DIMETHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16995282
【English Synonyms】
【Formula】
C14 H20 B N3 O2
【MolWeight】
273.142
【Inchi】
InChI=1S/C14H20BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-10(8-16)12(17-9-11)18(5)6/h7,9H,1-6H3
【InChIKey】
InChIKey=TUTJYIDVNQKJPX-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N(C)C)C#N
【MOL File】
2-(DIMETHYLAMINO)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(DIMETHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml